(2E,4E)-N-(2-fluoroethyl)-N,5,6-trimethyl-2-prop-2-enylhepta-2,4-dienamide

C15H24FNO — CID 142308954

IUPAC(2E,4E)-N-(2-fluoroethyl)-N,5,6-trimethyl-2-prop-2-enylhepta-2,4-dienamide
SMILESC=CC/C(=C\C=C(/C)C(C)C)C(=O)N(C)CCF
InChIInChI=1S/C15H24FNO/c1-6-7-14(9-8-13(4)12(2)3)15(18)17(5)11-10-16/h6,8-9,12H,1,7,10-11H2,2-5H3/b13-8+,14-9+
InChIKeyAHTJRTUEIHMBQY-UQNWOCKMSA-N
MW253.36 g/mol
LogP3.52
Rot. Bonds7

About (2E,4E)-N-(2-fluoroethyl)-N,5,6-trimethyl-2-prop-2-enylhepta-2,4-dienamide

(2E,4E)-N-(2-fluoroethyl)-N,5,6-trimethyl-2-prop-2-enylhepta-2,4-dienamide (PubChem CID 142308954) has the molecular formula C15H24FNO and a molecular weight of 253.36 g/mol. Its IUPAC name is (2E,4E)-N-(2-fluoroethyl)-N,5,6-trimethyl-2-prop-2-enylhepta-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-N-(2-fluoroethyl)-N,5,6-trimethyl-2-prop-2-enylhepta-2,4-dienamide
PubChem CID142308954
Molecular FormulaC15H24FNO
Molecular Weight253.36 g/mol
Exact Mass253.18
IUPAC Name(2E,4E)-N-(2-fluoroethyl)-N,5,6-trimethyl-2-prop-2-enylhepta-2,4-dienamide
SMILESC=CC/C(=C\C=C(/C)C(C)C)C(=O)N(C)CCF
InChIInChI=1S/C15H24FNO/c1-6-7-14(9-8-13(4)12(2)3)15(18)17(5)11-10-16/h6,8-9,12H,1,7,10-11H2,2-5H3/b13-8+,14-9+
InChIKeyAHTJRTUEIHMBQY-UQNWOCKMSA-N
XLogP3.52
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.36
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(2Z)-N,N-dibutyl-4-methyl-2-(trifluoromethyl)penta-2,4-dienamide
CID 15399691
5-Propan-2-yl-1-(3,3,3-trifluoropropyl)pyridin-2-one
CID 58592703
(4,4-Difluoropiperidin-1-yl)-(4-methylcyclohexa-1,5-dien-1-yl)methanone
CID 70224442
5-Fluoro-1,3-di(propan-2-yl)pyridin-2-one
CID 89728117
1-(2,2-Dimethylpropyl)-5-propan-2-yl-3-(trifluoromethyl)pyridin-2-one
CID 90161780
4-(2-fluoropent-4-en-2-yl)-1,3-dimethyl-2H-azepin-7-one
CID 91011503
1-Ethyl-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one
CID 118301545
(3Z,5Z)-1-butyl-8-fluoro-2,8-dimethyl-2,7-dihydroazonin-9-one
CID 126663067
5-Fluoro-1-methyl-3-propan-2-ylpyridin-2-one
CID 129075338
(2Z)-2-[(E)-1-fluoroprop-1-enyl]-3-methyl-1-piperidin-1-ylhexa-2,5-dien-1-one
CID 129084636
(E,2E)-4-[[acetyl(4-fluorobutyl)amino]methyl]-2-ethylidene-N,N-dipropylhex-3-enamide
CID 130183009
(E)-1-[4-[(3E,5E)-6-fluorohexa-1,3,5-trien-3-yl]piperidin-1-yl]but-2-en-1-one
CID 130216716

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N-(2-fluoroethyl)-N,5,6-trimethyl-2-prop-2-enylhepta-2,4-dienamide?
The IUPAC name of (2E,4E)-N-(2-fluoroethyl)-N,5,6-trimethyl-2-prop-2-enylhepta-2,4-dienamide (CID 142308954) is (2E,4E)-N-(2-fluoroethyl)-N,5,6-trimethyl-2-prop-2-enylhepta-2,4-dienamide.
What is the SMILES notation for (2E,4E)-N-(2-fluoroethyl)-N,5,6-trimethyl-2-prop-2-enylhepta-2,4-dienamide?
The canonical SMILES for (2E,4E)-N-(2-fluoroethyl)-N,5,6-trimethyl-2-prop-2-enylhepta-2,4-dienamide is C=CC/C(=C\C=C(/C)C(C)C)C(=O)N(C)CCF.
What is the InChIKey of (2E,4E)-N-(2-fluoroethyl)-N,5,6-trimethyl-2-prop-2-enylhepta-2,4-dienamide?
The InChIKey is AHTJRTUEIHMBQY-UQNWOCKMSA-N. The full InChI is InChI=1S/C15H24FNO/c1-6-7-14(9-8-13(4)12(2)3)15(18)17(5)11-10-16/h6,8-9,12H,1,7,10-11H2,2-5H3/b13-8+,14-9+.
What are the key properties of (2E,4E)-N-(2-fluoroethyl)-N,5,6-trimethyl-2-prop-2-enylhepta-2,4-dienamide?
(2E,4E)-N-(2-fluoroethyl)-N,5,6-trimethyl-2-prop-2-enylhepta-2,4-dienamide has a molecular weight of 253.36 g/mol, XLogP of 3.52, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-(2-fluoroethyl)-N,5,6-trimethyl-2-prop-2-enylhepta-2,4-dienamide is sourced from PubChem (CID 142308954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).